REMARK  Name = BDB054819
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.408  -1.209  -1.117  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.590  -1.935  -2.288  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.038  -3.103  -2.483  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.403  -1.435  -3.300  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.050  -0.208  -3.130  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.899   0.523  -1.939  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.059   0.018  -0.935  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.030  -2.750   0.552  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.437  -1.758  -0.047  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        1.622  -1.105   0.260  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1        2.416  -1.597   1.391  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        3.388  -0.535   1.926  0.00  0.00    +0.124 C 
ATOM     13  N   LIG    1        4.306  -0.042   0.875  0.00  0.00    -0.327 N 
ATOM     14  C   LIG    1        3.757  -0.037  -0.504  0.00  0.00    +0.124 C 
ATOM     15  C   LIG    1        2.216  -0.006  -0.520  0.00  0.00    +0.127 C 
BRANCH  13  16
ATOM     16  C   LIG    1        5.657  -0.417   0.912  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        6.119  -1.595   1.516  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        7.479  -1.929   1.512  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        8.405  -1.089   0.902  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        7.972   0.085   0.297  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        6.613   0.412   0.302  0.00  0.00    +0.023 A 
ENDBRANCH  13  16
ENDBRANCH   1   9
BRANCH   6  22
ATOM     22  C   LIG    1       -2.599   1.857  -1.781  0.00  0.00    +0.094 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.225   2.070  -0.409  0.00  0.00    +0.087 A 
ATOM     24  C   LIG    1       -4.523   1.382  -0.086  0.00  0.00    +0.059 A 
ATOM     25  N   LIG    1       -5.124   0.499  -0.979  0.00  0.00    -0.342 N 
ATOM     26  H   LIG    1       -4.460   0.009  -1.575  0.00  0.00    +0.146 HD
ATOM     27  C   LIG    1       -6.218  -0.358  -0.529  0.00  0.00    +0.102 C 
ATOM     28  C   LIG    1       -7.150   0.443   0.376  0.00  0.00    +0.023 C 
ATOM     29  C   LIG    1       -6.378   1.078   1.541  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1       -5.067   1.672   1.106  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1       -4.371   2.576   2.048  0.00  0.00    +0.270 A 
ATOM     32  O   LIG    1       -4.842   2.852   3.146  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -3.164   3.070   1.627  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1       -2.676   3.696   2.259  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1       -2.588   2.853   0.413  0.00  0.00    -0.174 NA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 4